CID 165904472

3-[nitroso(propan-2-yl)amino]propanoic acid

Structural Information

Molecular Formula
C6H12N2O3
SMILES
CC(C)N(CCC(=O)O)N=O
InChI
InChI=1S/C6H12N2O3/c1-5(2)8(7-11)4-3-6(9)10/h5H,3-4H2,1-2H3,(H,9,10)
InChIKey
HQDHGOHKNMCNRK-UHFFFAOYSA-N
Compound name
3-[nitroso(propan-2-yl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.0848 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.092076 133.4
[M+Na]+ 183.074018 139.1
[M-H]- 159.077524 135.2
[M+NH4]+ 178.118623 154.0
[M+K]+ 199.047958 141.3
[M+H-H2O]+ 143.082060 127.6
[M+HCOO]- 205.083001 158.8
[M+CH3COO]- 219.098651 186.3
[M+Na-2H]- 181.059466 137.6
[M]+ 160.08425142 135.9
[M]- 160.08534858 135.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.